2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide

C19H23ClN2O3S — CID 100767114

IUPAC2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
SMILESCN(c1ccc(C(=O)NC(C)(C)Cc2ccccc2)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-19(2,13-14-8-6-5-7-9-14)21-18(23)16-11-10-15(12-17(16)20)22(3)26(4,24)25/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyWCAPDQZEQADRQQ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.49
Rot. Bonds6

About 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide

2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide (PubChem CID 100767114) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
PubChem CID100767114
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
SMILESCN(c1ccc(C(=O)NC(C)(C)Cc2ccccc2)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-19(2,13-14-8-6-5-7-9-14)21-18(23)16-11-10-15(12-17(16)20)22(3)26(4,24)25/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyWCAPDQZEQADRQQ-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100517542
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)butanamide
CID 100530842
2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 50944504
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-[methyl(methylsulfonyl)amino]benzamide
CID 100646698
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)butanamide
CID 133210658
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 133160344
2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133199988
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 100507560
2-chloro-N-ethyl-5-[methyl(methylsulfonyl)amino]benzamide
CID 53278410
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162015
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125042681
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133145463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The IUPAC name of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide (CID 100767114) is 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide is CN(c1ccc(C(=O)NC(C)(C)Cc2ccccc2)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The InChIKey is WCAPDQZEQADRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-19(2,13-14-8-6-5-7-9-14)21-18(23)16-11-10-15(12-17(16)20)22(3)26(4,24)25/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 100767114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).